NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2921 8.1593 117.3739 63.5471 69.7176 173.4824 2 S 4.4236 8.2503 121.1005 55.9046 65.0867 173.3169 3 K 3.9063 8.8421 121.9161 59.5659 32.6879 179.6902 4 K 3.8231 8.0293 119.2198 59.5705 31.9981 178.3103 5 K 4.0992 7.5185 115.9549 58.3056 32.1281 177.5685 6 R 4.4667 7.3653 116.0500 56.8229 30.8357 177.4921 7 Q 4.2204 8.1074 119.6075 57.1636 28.4633 175.5722 8 R 3.9881 7.6426 118.4225 59.8956 29.7447 176.1048 9 G 4.0648 8.8881 111.0451 45.5150 0.0000 173.9261 10 S 4.1923 8.0328 113.7683 58.6448 63.7293 174.9102 11 R 4.2344 8.1776 125.5715 57.2328 29.2333 176.7530 12 T 4.3209 7.6512 104.8717 61.2112 69.7166 174.0738 13 H 4.8594 8.3294 118.2691 55.9927 26.8551 175.7113 14 G 3.9236 8.5440 104.5472 45.8232 0.0000 174.9175 15 G 3.8318 8.1850 107.3847 45.2316 0.0000 176.2874 16 G 3.8968 7.9159 106.5837 44.8306 0.0000 173.5489 17 S 4.1896 8.5826 116.6048 58.8295 62.7678 174.9846 18 H 4.4923 8.8211 120.2414 56.9052 28.3727 175.7577 19 K 4.1555 7.7069 119.0634 56.7209 31.5057 177.3357 20 N 4.3694 7.2069 117.1983 55.4005 39.2515 176.9081 21 R 4.4795 7.4973 121.3104 56.7560 29.1662 177.2697 22 R 4.4802 7.6865 121.4062 56.1581 31.0530 180.0491 23 G 4.1888 8.6119 122.4999 45.4804 0.0000 173.7390 24 A 4.2678 8.6609 120.7770 54.3431 18.3103 179.9895 25 G 3.5490 8.0141 104.4024 47.7745 0.0000 174.8682 26 H 4.5643 8.1436 118.3648 57.6547 30.0215 176.1810 27 R 4.5413 7.8158 116.9778 55.5526 31.3220 176.1573 28 G 3.8094 7.4624 106.4557 46.6135 0.0000 173.3900 29 G 4.1369 8.0149 106.0309 43.4298 0.0000 174.6414 30 R 4.0268 8.7099 121.0541 56.8344 31.9368 176.3645 31 G 3.9081 8.3978 114.9506 47.4122 0.0000 173.6854 32 D 4.6786 8.8806 124.8539 53.4557 40.8642 175.4161 33 A 3.8902 7.3573 123.0853 54.2579 18.7486 178.4674 34 G 3.7895 9.0249 109.9966 46.0054 0.0000 175.1820 35 R 3.8892 7.6957 115.8717 57.3330 29.1987 177.1310 36 D 5.0342 7.8169 115.2497 52.5309 41.2390 175.6494 37 K 4.2386 8.4291 118.7278 56.9874 31.8294 178.1957 38 H 4.4836 9.7005 126.0177 58.2987 27.9994 176.1015 39 E 4.7469 7.4752 120.4131 55.8566 30.3258 177.9603 40 F 4.8519 8.3805 115.4697 59.0626 38.3405 175.4232 41 H 3.5705 6.0910 116.9870 57.3682 29.1464 174.8548 42 N 4.2000 8.6987 119.8018 54.8186 35.9848 174.1160 43 H 4.9027 7.7341 111.8917 53.6649 32.9865 173.9579 44 E 4.1481 8.7968 123.5533 55.2410 29.9606 175.2181 45 P 4.3827 0.0000 0.0000 62.7984 31.6739 175.9601 46 L 4.0818 8.4711 120.1160 53.5572 42.0755 177.1620 47 G 4.2324 7.7050 113.2356 45.1653 0.0000 171.2421 48 K 4.5566 8.0331 119.1915 54.4057 33.8144 176.3028 49 S 4.4598 8.1407 117.4961 57.2876 65.3398 175.0362 50 G 4.0911 9.0148 117.4926 45.3155 0.0000 171.8074 51 F 5.0161 8.4601 112.2980 55.4529 40.9650 173.3449 52 K 4.3221 8.3717 119.5011 54.5356 35.0520 176.1523 53 R 4.6252 7.9268 120.3874 53.5126 32.1483 174.7264 54 P 4.2878 0.0000 0.0000 63.1240 31.9052 177.0232 55 Q 4.0848 9.0447 122.5243 59.1636 28.7577 178.9299 56 K 4.2308 7.9780 113.1796 57.1108 32.4860 177.1367 57 V 4.3116 8.0410 117.3967 62.7724 32.6424 175.2229 58 Q 4.5252 7.6798 117.7867 55.3451 29.9711 174.7697 59 E 4.7623 8.4350 119.6788 53.5515 32.3665 175.0468 60 E 4.4733 8.6062 123.4808 54.4725 31.4358 174.3910 61 A 4.2611 8.3286 128.7190 50.7048 20.7916 176.1324 62 A 4.5102 8.6034 123.5104 50.9457 20.1626 176.6048 63 T 4.9435 8.2050 112.2534 60.3203 71.5703 174.2055 64 I 4.4145 7.8200 121.1723 60.2747 41.7240 172.8984 65 D 5.1046 8.6585 128.8863 53.5003 42.2610 177.7245 66 V 3.5925 8.5311 116.3920 64.8406 31.6323 178.7598 67 R 3.8442 7.8053 117.6999 59.6489 29.5345 178.0334 68 E 3.8993 7.9468 117.6335 59.3154 29.9544 178.6067 69 I 3.7645 7.6137 119.2117 64.5428 37.1036 177.6141 70 D 4.1769 8.0613 117.7781 57.5640 41.0790 178.0405 71 E 4.1689 8.1707 117.4374 58.0083 29.6705 177.3144 72 N 4.9595 7.7125 115.4743 52.8951 38.7587 176.7859 73 V 3.3435 7.6696 114.8467 64.6028 31.5920 178.7129 74 T 4.0956 7.6406 107.8480 63.8381 68.8816 175.0446 75 L 4.2728 7.0120 121.6956 56.3945 41.5874 177.4439 76 L 4.3318 7.7209 120.6186 53.8854 40.3745 178.0290 77 A 4.1694 7.6946 122.7650 54.8259 19.1798 178.9635 78 A 4.6766 7.3077 115.8576 52.3348 18.2500 176.7823 79 D 4.8121 7.8069 117.4838 54.3491 44.8769 175.0361 80 D 4.2558 7.7074 121.0440 53.3007 40.9962 176.7269 81 V 4.3590 8.0219 125.1016 60.8088 30.6875 175.2004 82 A 4.2786 7.7401 126.0588 50.7949 19.6687 177.3561 83 E 3.7389 8.7261 114.4344 59.2272 29.7147 177.2153 *89 F 4.7352 7.7919 117.8467 57.5631 40.8199 173.9286 90 R 5.2667 8.7122 122.0949 54.8896 33.3415 174.7854 91 V 4.4151 8.6091 125.4425 60.2832 35.2920 173.6046 92 D 4.6391 8.9106 125.6096 53.5499 40.9697 176.3148 93 V 3.6260 8.6425 128.5388 66.2014 31.6106 178.3179 94 R 3.9263 8.1845 117.2688 58.8045 29.8468 177.4593 95 D 4.6651 7.7555 116.2540 54.8455 41.4275 178.4164 96 V 3.7973 7.7182 119.0910 64.4432 32.2523 176.6044 97 V 3.6515 7.2631 116.9391 62.9607 31.9522 175.1879 98 E 4.2990 8.4942 125.9098 56.8811 30.4051 175.5593 99 E 3.7114 8.6426 117.4910 57.7873 26.4413 175.4256 100 A 4.3076 7.9984 120.5001 53.1565 18.9437 179.4447 101 D 4.4455 7.7711 116.8127 57.1709 41.3076 177.4491 102 D 4.7107 7.9492 115.8448 53.3954 38.5737 175.5420 103 A 4.7171 7.3458 121.9789 50.8539 20.3557 178.8637 104 D 4.4601 8.6874 121.4745 56.5921 41.2389 175.6818 105 Y 4.5222 6.1518 113.6688 56.9171 41.5171 172.2530 106 V 4.8818 8.1579 119.1729 60.9823 34.3177 174.1171 107 K 4.7795 9.2161 128.3657 54.6046 34.2494 174.6087 108 V 4.4472 8.0848 126.9416 61.5681 33.3152 174.5487 109 L 4.7655 9.2057 127.9486 52.4460 44.3412 176.9001 110 G 4.2685 8.2183 109.8679 45.3801 0.0000 173.7448 111 A 4.6368 7.7594 122.4279 51.5260 21.3606 176.8433 112 G 4.0968 8.8569 109.1137 44.6312 0.0000 172.3543 113 Q 4.4644 8.1231 116.9679 54.4789 30.4894 176.1472 114 V 4.2304 7.8541 118.0544 61.6890 32.3405 174.4751 115 R 4.4681 8.5717 124.2092 56.2969 29.9590 175.7839 116 H 5.1214 7.8746 114.5296 54.1088 33.2869 173.3202 117 E 4.6898 8.8905 117.9825 54.5853 29.2706 174.8212 118 L 4.9055 8.2760 126.3209 53.9417 44.8850 175.7733 119 T 4.8669 8.6440 119.6905 61.9676 70.1204 172.6118 120 L 4.9789 8.5530 126.4702 53.5749 44.0784 175.9447 121 I 5.0363 8.3750 123.8912 59.8427 39.6590 174.5533 122 A 4.8620 8.8948 127.6098 50.6907 22.8460 176.0379 123 D 4.4137 8.4158 116.7598 56.6318 42.2380 176.4713 124 D 4.7494 7.2042 115.8630 53.2514 44.5724 173.9357 125 F 5.3782 8.7835 121.7178 55.9791 43.8555 173.1440 126 S 4.8120 8.1481 113.3118 56.4936 66.1566 175.3337 127 E 4.0268 9.0266 118.6481 59.7480 29.1873 179.7813 128 G 3.7727 8.2145 104.8300 47.8117 0.0000 175.2968 129 A 4.0858 7.9332 122.5916 55.1249 18.3628 179.8788 130 R 3.8251 8.0946 116.5472 59.4319 30.2276 178.7794 131 E 3.9273 8.5555 118.6366 59.9178 29.0868 180.0266 132 K 4.0729 7.9694 117.5312 59.1345 32.0414 179.6792 133 V 3.5066 7.4636 118.6030 65.6745 31.3418 177.4094 134 E 4.8351 7.7466 117.5856 57.0678 29.6316 178.4993 135 G 3.7936 7.9198 105.3300 46.1476 0.0000 174.1603 136 A 4.5823 7.4988 123.3487 51.5295 19.8319 176.7285 137 G 3.9543 8.1876 103.9811 48.4116 0.0000 173.0480 138 G 4.4314 8.1238 105.0092 44.3672 0.0000 171.9862 139 S 5.1152 8.4418 113.9764 56.2914 66.6407 173.3511 140 V 4.5134 7.9402 119.0202 61.2343 34.1883 174.0462 141 E 4.5938 9.6453 128.9777 54.3907 31.4616 175.1153 142 L 4.8590 8.5124 127.7478 55.0773 43.1760 176.8071 143 T 4.2506 8.8675 123.3866 63.1570 69.9954 175.3838 144 D 4.5089 8.7602 121.5864 57.6196 41.0392 179.1160 145 L 3.9805 7.9771 119.9111 57.8331 42.4136 178.0495 146 G 3.9131 7.8525 106.6685 47.0710 0.0000 174.4779 147 E 4.3830 7.8399 117.4623 57.2992 28.9764 176.5210 148 E 4.5696 7.6863 117.8185 57.0356 30.0288 177.6133 149 R 4.4460 7.3723 118.6984 52.6988 29.5576 176.2772 150 Q 4.2882 7.8869 121.5611 56.7631 29.2363 173.2384 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 T 8.16 4.29 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 2 S 8.25 4.42 0.00 4.07 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.84 3.91 0.00 1.84 1.85 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.50 7.81 4 K 8.03 3.82 0.00 1.86 1.80 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.52 7.81 5 K 7.52 4.10 0.00 1.81 1.98 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.37 4.47 0.00 1.96 1.91 0.00 3.20 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 7 Q 8.11 4.22 0.00 1.93 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.97 0.00 0.00 0.00 0.00 0.00 2.65 2.46 0.00 8 R 7.64 3.99 0.00 1.79 1.92 0.00 3.36 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 9 G 8.89 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.03 4.19 0.00 3.99 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.18 4.23 0.00 1.98 2.12 0.00 3.20 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 12 T 7.65 4.32 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 13 H 8.33 4.86 0.00 3.22 3.41 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.54 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.19 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.92 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.58 4.19 0.00 3.87 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.82 4.49 0.00 3.31 3.38 0.00 5.57 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.71 4.16 0.00 1.74 1.80 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.29 1.35 7.81 20 N 7.21 4.37 0.00 2.75 2.54 0.00 0.00 6.93 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.50 4.48 0.00 1.79 1.92 0.00 3.18 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 22 R 7.69 4.48 0.00 1.74 1.00 0.00 3.14 0.00 0.00 3.20 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 23 G 8.61 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.66 4.27 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.01 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.14 4.56 0.00 3.12 3.44 0.00 5.91 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.82 4.54 0.00 1.92 1.92 0.00 3.30 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 28 G 7.46 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.01 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.71 4.03 0.00 1.91 1.83 0.00 3.38 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 31 G 8.40 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.88 4.68 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.36 3.89 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.02 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.70 3.89 0.00 1.64 2.14 0.00 2.74 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 36 D 7.82 5.03 0.00 2.72 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.43 4.24 0.00 1.86 1.49 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.36 1.51 7.81 38 H 9.70 4.48 0.00 3.32 3.47 0.00 5.47 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.48 4.75 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 40 F 8.38 4.85 0.00 3.10 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 6.09 3.57 0.00 2.91 3.04 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.70 4.20 0.00 2.77 2.80 0.00 0.00 6.79 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 7.73 4.90 0.00 3.34 3.16 0.00 5.90 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.80 4.15 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 45 P 0.00 4.38 0.00 2.19 2.11 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 46 L 8.47 4.08 0.00 1.66 1.65 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.70 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.03 4.56 0.00 1.75 1.75 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.40 7.81 49 S 8.14 4.46 0.00 3.78 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.01 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.46 5.02 0.00 3.12 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.37 4.32 0.00 1.68 1.63 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.22 1.36 7.81 53 R 7.93 4.63 0.00 1.73 1.85 0.00 3.29 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.40 0.00 54 P 0.00 4.29 0.00 2.22 2.22 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 55 Q 9.04 4.08 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.15 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 56 K 7.98 4.23 0.00 1.86 1.90 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.42 7.81 57 V 8.04 4.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.97 0.00 0.00 58 Q 7.68 4.53 0.00 2.21 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.37 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 59 E 8.44 4.76 0.00 1.88 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 60 E 8.61 4.47 0.00 1.94 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 61 A 8.33 4.26 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.60 4.51 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.21 4.94 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 64 I 7.82 4.41 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.21 0.93 0.00 0.00 65 D 8.66 5.10 0.00 2.63 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.53 3.59 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.06 0.00 0.00 67 R 7.81 3.84 0.00 1.93 2.01 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 68 E 7.95 3.90 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 69 I 7.61 3.76 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.51 0.87 0.00 0.00 70 D 8.06 4.18 0.00 2.58 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.17 4.17 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 72 N 7.71 4.96 0.00 2.66 2.71 0.00 0.00 6.83 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.67 3.34 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.45 0.00 0.00 74 T 7.64 4.10 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 75 L 7.01 4.27 0.00 1.93 1.74 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.72 4.33 0.00 1.84 1.61 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.69 4.17 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.31 4.68 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.81 4.81 0.00 2.75 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.71 4.26 0.00 3.03 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.02 4.36 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 1.05 0.00 0.00 82 A 7.74 4.28 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.73 3.74 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 *89 F 7.79 4.74 0.00 3.31 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.71 5.27 0.00 1.77 1.80 0.00 3.27 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 91 V 8.61 4.42 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.94 0.00 0.00 92 D 8.91 4.64 0.00 2.80 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.64 3.63 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.02 0.00 0.00 94 R 8.18 3.93 0.00 1.82 2.01 0.00 3.26 0.00 0.00 3.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 95 D 7.76 4.67 0.00 2.69 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.72 3.80 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.92 0.00 0.00 97 V 7.26 3.65 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.97 0.00 0.00 98 E 8.49 4.30 0.00 1.98 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 99 E 8.64 3.71 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 100 A 8.00 4.31 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.77 4.45 0.00 2.71 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 7.95 4.71 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.35 4.72 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.69 4.46 0.00 2.49 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 6.15 4.52 0.00 2.92 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.16 4.88 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.94 0.00 0.00 107 K 9.22 4.78 0.00 1.95 1.66 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.43 7.81 108 V 8.08 4.45 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.71 0.00 0.00 109 L 9.21 4.77 0.00 1.80 1.55 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.22 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.76 4.64 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.86 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 8.12 4.46 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 114 V 7.85 4.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.95 0.00 0.00 115 R 8.57 4.47 0.00 2.07 1.95 0.00 3.19 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 116 H 7.87 5.12 0.00 3.07 3.35 0.00 5.70 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.89 4.69 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 118 L 8.28 4.91 0.00 1.67 1.66 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.64 4.87 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 120 L 8.55 4.98 0.00 1.85 1.83 1.07 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.38 5.04 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.93 1.01 0.00 0.00 122 A 8.89 4.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.42 4.41 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 7.20 4.75 0.00 2.40 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.78 5.38 0.00 2.85 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.15 4.81 0.00 3.94 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 9.03 4.03 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 128 G 8.21 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.93 4.09 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.09 3.83 0.00 2.05 1.93 0.00 3.14 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.74 0.00 131 E 8.56 3.93 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 132 K 7.97 4.07 0.00 1.87 1.87 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.67 7.81 133 V 7.46 3.51 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.07 0.00 0.00 134 E 7.75 4.84 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.12 0.00 135 G 7.92 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.50 4.58 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.19 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.12 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.44 5.12 0.00 3.78 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 7.94 4.51 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 0.44 0.00 0.00 141 E 9.65 4.59 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 142 L 8.51 4.86 0.00 1.70 1.61 1.10 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.87 4.25 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 144 D 8.76 4.51 0.00 2.71 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.98 3.98 0.00 1.61 1.85 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.85 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 7.84 4.38 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 148 E 7.69 4.57 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 149 R 7.37 4.45 0.00 1.76 1.85 0.00 3.29 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 150 Q 7.89 4.29 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.65 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.